⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12371392 | 0.82 | ALOX15 (0.33) | — | |
| SCHEMBL15095167 | 0.81 | — | — | |
| SCHEMBL12371358 | 0.79 | — | — | |
| SCHEMBL18516998 | 0.65 | PTPN1 (0.32) | — | |
| SCHEMBL2918176 | 0.65 | — | — | |
| SCHEMBL21662403 | 0.61 | — | — | |
| SCHEMBL14701162 | 0.57 | — | — | |
| SCHEMBL13857772 | 0.57 | — | — | |
| SCHEMBL17470203 | 0.56 | SLC5A1 (0.31) | — | |
| SCHEMBL18643686 | 0.54 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481728-B2 | Process for preparing entecavir and its intermediates | SCINOPHARM TAIWAN, LTD. (TW) | 2013-07-09 | — | — | US | disclosed |
| US-20110201809-A1 | Process for Preparing Entecavir and its Intermediates | SCINOPHARM TAIWAN, LTD. | 2011-08-18 | — | — | US | disclosed |